Related papers: First-principles molecular quantum electrodynamics…
We investigate the quantum electrodynamics of a single two-level atom located at the focus of a parabolic cavity. We first work out the modifications of the spontaneous emission induced by the presence of this boundary in the optical…
Entanglement is a fundamental resource that allows quantum sensors to surpass the standard quantum limit set by the quantum collapse of independent atoms. Collective cavity-QED systems have succeeded in generating large amounts of directly…
Efficient computation of molecular energies is an exciting application of quantum computing for quantum chemistry, but current noisy intermediate-scale quantum (NISQ) devices can only execute shallow circuits, limiting existing variational…
Light-matter interaction with squeezed vacuum has received much interest for the ability to enhance the native interaction strength between an atom and a photon with a reservoir assumed to have an infinite bandwidth. Here, we study a model…
The multiconfiguration time-dependent Hartree-Fock (MCTDHF) method is formulated for treating the coupled electronic and nuclear dynamics of diatomic molecules without the Born- Oppenheimer approximation. The method treats the full…
We study quantum electrodynamics (QED) in the light-front dynamical form by using null-plane causal perturbation theory. We establish the equivalence with instant dynamics for the scattering processes, whose normalization allows to…
The differential capacitance comprises the most relevant thermodynamic information about an electrochemical system. Classical approaches to describe electrochemical capacitance have difficulties to combine the treatment of the ionic…
Two types of approaches to modeling molecular systems have demonstrated high practical efficiency. Density functional theory (DFT), the most widely used quantum chemical method, is a physical approach predicting energies and electron…
Structuring the photon density of states and light-matter coupling in optical cavities has emerged as a promising approach to modifying the equilibrium properties of materials through strong light-matter interactions. In this article, we…
The many experimental puzzles of solid hydrogen, that seem to defy the generally accepted view of condensed matter, are shown to be a rather straightforward consequence of a new approach to condensed matter physics, that takes into account…
This perspective provides a brief introduction into the theoretical complexity of polaritonic chemistry, which emerges from the hybrid nature of strongly coupled light-matter states. To tackle this complexity, the importance of ab initio…
Density functional theory (DFT) is shown to provide a novel conceptual and computational framework for entanglement in interacting many-body quantum systems. DFT can, in particular, shed light on the intriguing relationship between quantum…
We developed a general framework for hybrid quantum-classical computing of molecular and periodic embedding approaches based on an orbital space separation of the fragment and environment degrees of freedom. We demonstrate its potential by…
Density fitting is used throughout quantum chemistry to simplify the electron-electron interaction energy (EE). A fundamental property of quantum chemistry, and DFT in particular, is that a variational principle connects the EE to a…
We examine wave propagation and the formation of shocks in strongly magnetized plasmas by applying a variational technique and the method of characteristics to the coupled magnetohydrodynamic (MHD) and quantum-electrodynamic (QED) equations…
In this work we investigate the effects of the electron-electron interaction between a molecular junction and the metallic leads in time-dependent quantum transport. We employ the recently developed embedded Kadanoff-Baym method [Phys. Rev.…
The interaction of a single photon with an individual two-level system is the textbook example of quantum electrodynamics. Achieving strong coupling in this system so far required confinement of the light field inside resonators or…
The multipolar Hamiltonian of quantum electrodynamics (QED) is extensively employed in chemical and optical physics to treat rigorously the interaction of electromagnetic fields with matter. It is also widely used to evaluate intermolecular…
Cavity quantum electrodynamics (QED), wherein a quantum emitter is coupled to electromagnetic cavity modes, is a powerful platform for implementing quantum sensors, memories, and networks. However, due to the fundamental tradeoff between…
We develop a new theoretical framework for describing light-matter interactions in cavity quantum electrodynamics (QED), optimized for efficient convergence at arbitrarily strong coupling strengths and is naturally applicable to…